SCHEMBL28537824

SCHEMBL28537824

Clc1ccc(-n2c(-c3ccccc3)cc3c2CCC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.56
LMNA P02545 5/20 0.56
TP53 P04637 9/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
THRB P10828 2/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.47
MDM2 Q00987 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2985659 0.86 LMNA (0.63) MAPTLMNATP53SMN1; SMN2THRB
SCHEMBL11809804 0.82 LMNA (0.67) MAPTLMNATP53SMN1; SMN2THRB
SCHEMBL11814051 0.79 LMNA (0.70) MAPTLMNATP53SMN1; SMN2THRB
SCHEMBL2997027 0.79 MAPT (0.72) MAPTLMNATP53SMN1; SMN2THRB
SCHEMBL11834489 0.75 SERPINE1 (0.57) MAPTLMNATP53SMN1; SMN2THRB
SCHEMBL15283682 0.73 MAPT (0.50) MAPTLMNATP53SMN1; SMN2THRB
SCHEMBL2997341 0.73 MAPT (0.59) MAPTLMNATP53SMN1; SMN2THRB
SCHEMBL11816949 0.72 LMNA (0.55) MAPTLMNATP53SMN1; SMN2THRB
SCHEMBL2994406 0.72 SERPINE1 (0.70) MAPTLMNATP53SMN1; SMN2THRB
SCHEMBL11696697 0.72 MAPT (0.57) MAPTLMNATP53SMN1; SMN2THRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107496419-B Cyclopenta [ b ] pyrrole compound with anti-inflammatory activity 兰州大学 2021-03-23 CN disclosed